N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide

C21H22N6O2S — CID 3216778

IUPACN-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
SMILESCc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)N1CCOCC1)c1nnnn12
InChIInChI=1S/C21H22N6O2S/c1-15-4-5-19-16(11-15)12-17(20-22-23-24-27(19)20)13-26(14-18-3-2-10-30-18)21(28)25-6-8-29-9-7-25/h2-5,10-12H,6-9,13-14H2,1H3
InChIKeyRMLAECIQULBTOF-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.10
Rot. Bonds4

About N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide

N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide (PubChem CID 3216778) has the molecular formula C21H22N6O2S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
PubChem CID3216778
Molecular FormulaC21H22N6O2S
Molecular Weight422.51 g/mol
Exact Mass422.15
IUPAC NameN-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
SMILESCc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)N1CCOCC1)c1nnnn12
InChIInChI=1S/C21H22N6O2S/c1-15-4-5-19-16(11-15)12-17(20-22-23-24-27(19)20)13-26(14-18-3-2-10-30-18)21(28)25-6-8-29-9-7-25/h2-5,10-12H,6-9,13-14H2,1H3
InChIKeyRMLAECIQULBTOF-UHFFFAOYSA-N
XLogP3.10
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide with MolForge

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Related Compounds

N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 645364
1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 1466444
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide
CID 43813555
2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 1459552
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide
CID 1466271
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459597
dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium
CID 7412219
N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466456
1-(2-methoxyethyl)-3-(4-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 3221135
3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3216762
N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 43813460

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide (CID 3216778) is N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide is Cc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)N1CCOCC1)c1nnnn12.
What is the InChIKey of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide?
The InChIKey is RMLAECIQULBTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2S/c1-15-4-5-19-16(11-15)12-17(20-22-23-24-27(19)20)13-26(14-18-3-2-10-30-18)21(28)25-6-8-29-9-7-25/h2-5,10-12H,6-9,13-14H2,1H3.
What are the key properties of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide?
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 3216778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).